Chlorine in PDB 5loh: Kinase Domain of Human Greatwall

All present enzymatic activity of Kinase Domain of Human Greatwall:
2.7.11.1;

The structure of Kinase Domain of Human Greatwall, PDB code: 5loh was solved by M.B.Rajasekaran, L.H.Pearl, A.W.Oliver, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.897, 80.283, 179.939, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26.5

The binding sites of Chlorine atom in the Kinase Domain of Human Greatwall (pdb code 5loh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Kinase Domain of Human Greatwall, PDB code: 5loh:

Chlorine binding site 1 out of 1 in the Kinase Domain of Human Greatwall


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Kinase Domain of Human Greatwall within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:81.5 occ:1.00 ND1 A:HIS148 3.3 39.5 1.0 NH2 B:ARG753 3.3 42.7 0.5 O A:HOH1022 3.4 39.7 1.0 CZ2 A:TRP761 3.4 34.8 1.0 NE1 A:TRP761 3.5 37.1 1.0 OD1 A:ASP145 3.6 48.1 1.0 CE2 A:TRP761 3.8 30.9 1.0 CG A:HIS148 4.2 36.5 1.0 CB A:MET826 4.2 48.6 1.0 CE1 A:HIS148 4.2 43.0 1.0 CB A:HIS148 4.2 42.6 1.0 N A:MET826 4.2 42.7 1.0 O B:HOH1010 4.2 39.4 1.0 CG A:ASP145 4.4 53.4 1.0 CZ B:ARG753 4.5 45.1 0.5 CA A:ASP145 4.6 36.4 1.0 CH2 A:TRP761 4.6 38.1 1.0 CB A:ASP145 4.8 46.2 1.0 CD1 A:TRP761 4.8 44.6 1.0 CA A:MET826 4.9 40.1 1.0 NH1 B:ARG753 5.0 41.9 0.5

C.A.Ocasio, M.B.Rajasekaran, S.Walker, D.Le Grand, J.Spencer, F.M.Pearl, S.E.Ward, V.Savic, L.H.Pearl, H.Hochegger, A.W.Oliver. A First Generation Inhibitor of Human Greatwall Kinase, Enabled By Structural and Functional Characterisation of A Minimal Kinase Domain Construct. Oncotarget V. 7 71182 2016.
ISSN: ESSN 1949-2553
PubMed: 27563826
DOI: 10.18632/ONCOTARGET.11511